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• 1-Aminopyrene
IUPAC Name: pyren-1-amine | CAS Registry Number: 1606-67-3
Synonyms: 3-Aminopyrene, 1-PYRENAMINE, Pyrene, amino-, alpha-Aminopyrene, Pyren-1-ylamine, pyren-1-amine, N-1-AMINOPYRENE, CCRIS 760, A77903_ALDRICH, EINECS 216-521-3, NSC 11436, NSC11436, BRN 1875737, SBB003375, ZINC01504382, WLN: L666 B6 2AB PJ GZ, LS-129419, TL8001220, 4-12-00-03464 (Beilstein Handbook Reference), C004482

Molecular Formula: C16H11NMolecular Weight: 217.265240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YZVWKHVRBDQPMQ-UHFFFAOYSA-N

• (S)-Propylene oxide
IUPAC Name: (2S)-2-methyloxirane | CAS Registry Number: 16088-62-3
Synonyms: S-Methyloxirane, S-Epoxypropane, Methyloxirane, Epoxypropane, (-)-Methyloxirane, (S)-1,2-Epoxypropane, Propylene epoxide, (-)-Propylene oxide, (S)-epoxypropane, (S)-methyloxirane, 1,2-Epoxypropane, 2,3-Epoxypropane, (S)-2-Methyloxirane, Methyl ethylene oxide, (S)-(-)-Propylene oxide, (2S)-2-methyloxirane, AD 6 (suspending agent), (S)-(-)-1,2-Epoxypropane, S-12-EPOXYPROPANE, Oxirane, methyl-, (S)-

Molecular Formula: C3H6OMolecular Weight: 58.079140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GOOHAUXETOMSMM-VKHMYHEASA-N

• 2'-Deoxyadenosine Monohydrate
IUPAC Name: (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 16373-93-6
Synonyms: deoxyadenosine, 2'-deoxyadenosine, Desoxyadenosine, Adenyldeoxyriboside, Adenine deoxyribose, Adenine deoxy nucleoside, Adenine deoxyribonucleoside, 2'-Deoxyformycin A, ADENOSINE, 2'-DEOXY-, CCRIS 1782, 2'-dA, ADENINE DESOXYRIBOSIDE, nchembio.2007.39-comp4, STOCK1N-51172, ACon0_001347, CHEBI:17256, EINECS 213-488-7, NSC 83258, AIDS021670, NSC 141848

Molecular Formula: C10H13N5O3Molecular Weight: 251.241920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: OLXZPDWKRNYJJZ-RRKCRQDMSA-N

• (S)-(-)-Alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid
IUPAC Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid | CAS Registry Number: 17257-71-5
Synonyms: Mosher's acid, MTPA, (+)-Mtpa, 156558_ALDRICH, 65371_FLUKA, EINECS 241-292-1, EINECS 243-829-5, NSC370475, SBB000723, ST5307071, TL80073733, alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, ()-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid, (R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid, (+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, (-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, (-)-.alpha.-Methoxy-.alpha.-trifluoromethylphenylacetic acid, (S)-(-)-.alpha.-Methoxy-.alpha.-(trifluoromethyl)phenylacetic acid, Benzeneacetic acid, .alpha.-methoxy-.alpha.-(trifluoromethyl)-, (R)-

Molecular Formula: C10H9F3O3Molecular Weight: 234.171870 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: JJYKJUXBWFATTE-UHFFFAOYSA-N

• 2,3-Naphtho-15-crown-5
Synonyms: ZINC04269387, 2,3-naphtho-15-crown, AC1MC236, 70385_FLUKA, MolPort-000-157-708, AKOS015907749, FT-0637554, I14-27420, 2,5,8,11,14-Pentaoxa-tricyclo[13.8.0.0*17,22*]tricosa-1(15),16,18,20,22-pentaene

Molecular Formula: C18H22O5Molecular Weight: 318.364280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: BDTDDXDRCOLVNJ-UHFFFAOYSA-N

• (1S)-(-)-beta-Pinene
IUPAC Name: (1S,5S)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptane | CAS Registry Number: 18172-67-3
Synonyms: (-)-beta-Pinene, (-)-nopinene, beta-PINENE, 90% +, W290300_ALDRICH, (−)-beta-Pinene, 112089_ALDRICH, 402753_ALDRICH, (-)-(1S,5S)-beta-pinene, (-)-Pin-2(10)-ene, STOCK1N-18066, 80609_FLUKA, CHEBI:28359, (1S,5S)-2(10)-Pinene, (1S,5S)-pin-2(10)-ene, CPD-4891, LMPR01020044, ZINC01530385, (1S)-(−)-beta-Pinene, (1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane, C06307

Molecular Formula: C10H16Molecular Weight: 136.234040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WTARULDDTDQWMU-IUCAKERBSA-N

• 1,2-O-Isopropylidene-alpha-D-glucofuranose
IUPAC Name: 1-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol | CAS Registry Number: 18549-40-1
Synonyms: Maybridge3_000378, Oprea1_758719, CBDivE_002426, 1,2-O-Isopropylidene-D-glucofuranose, NSC1697, IDI1_011765, ST5039974, .alpha.-D-Glucofuranose, 1,2-O-(1-methylethylidene)-, Glucofuranose, 1,2-O-isopropylidene-, .alpha.-D-

Molecular Formula: C9H16O6Molecular Weight: 220.219740 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: BGGCXQKYCBBHAH-UHFFFAOYSA-N

• 2-Diethylaminoethanethiol Hydrochloride
IUPAC Name: 2-(diethylamino)ethanethiol hydrochloride | CAS Registry Number: 1942-52-5
Synonyms: USAF E-4, D86604_ALDRICH, Diethylaminoethanethiol hydrochloride, EINECS 217-731-8, CID16031, Diethyl-2-mercaptoethylammonium chloride, 2-Diethylaminoethanethiol hydrochloride, AI3-26086, LS-65910, 2-Diethylaminoethyl mercaptan hydrochloride, ETHANETHIOL, 2-(DIETHYLAMINO)-, HYDROCHLORIDE

Molecular Formula: C6H16ClNSMolecular Weight: 169.715940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QAXLTZBBDSDRPW-UHFFFAOYSA-N

• 1-Thio-beta-D-glucose tetraacetate
IUPAC Name: [4,5-diacetyloxy-2-(acetyloxymethyl)-6-sulfanyloxan-3-yl] acetate | CAS Registry Number: 19879-84-6
Synonyms: NSC97032, .beta.-D-Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate

Molecular Formula: C14H20O9SMolecular Weight: 364.368200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: SFOZKJGZNOBSHF-UHFFFAOYSA-N

• 1-Bromo-3,3-diphenylpropane
IUPAC Name: (3-bromo-1-phenylpropyl)benzene | CAS Registry Number: 20017-68-9
Synonyms: (3-bromo-1-phenylpropyl)benzene, NSC72996, EINECS 243-467-8, ZINC01698823, 1,1'-(3-Bromopropylidene)bisbenzene, AN-584/43345393

Molecular Formula: C15H15BrMolecular Weight: 275.183600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SLHSRCBFPHCSGL-UHFFFAOYSA-N

• 1-Carbethoxymethylene-Triphenylphosphorane
IUPAC Name: ethyl 2-tri(phenyl)phosphoranylideneacetate | CAS Registry Number: 1099-45-2
Synonyms: C5106_ALDRICH, (Carbethoxymethylene)triphenylphosphorane, Ethyl (triphenylphosphoranylidene)acetate, 02595_FLUKA, Triphenylcarbethoxymethylenephosphorane, Carbethoxytriphenylphosphonium methylide, Carbethoxymethylidenetriphenylphosphorane, NSC72406, Carboethoxymethylidenetriphenylphosphorane, EINECS 214-151-7, Ethyl (triphenylphosphoranilidene)acetate, NSC 72406, NSC167159, Ethyl (triphenylphosphoranyliden)acetate, Acetic acid, (triphenylphosphoranylidene)-, ethyl ester, (Ethoxycarbonylmethylene)triphenylphosphorane, ST5406274, ((Ethoxycarbonyl)methylene)triphenylphosphorane, [(Ethoxycarbonyl)methylene]triphenylphosphorane, ((Ethoxycarbonyl)ethylidene)triphenylphosphorane

Molecular Formula: C22H21O2PMolecular Weight: 348.374701 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IIHPVYJPDKJYOU-UHFFFAOYSA-N

• 18-Beta-Glycyrrhetinic Acid
IUPAC Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid | CAS Registry Number: 471-53-4
Synonyms: enoxolone, Glycyrrhetin, Uralenic acid, Biosone, Glycyrrhetic acid, GLYCYRRHETINIC ACID, Glycyrrhetinate, Arthrodont, Enoloxone, Glyciram, Glycyram, Hidermart, Jintan, Rhetinic Acid, Hidermart (TN), Enoxolone (INN), 3-Glycyrrhetinic acid, 18beta-Glycyrrhetinic acid, 18-beta-Glycyrrhetinic acid, alpha-Glycyrrhetinic acid

Molecular Formula: C30H46O4Molecular Weight: 470.683840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MPDGHEJMBKOTSU-YKLVYJNSSA-N

• 3(3-chloropropyl)-2,3 Dihydro 1H-Benzimidazole-2-One
IUPAC Name: 3-(3-chloropropyl)-1H-benzimidazol-2-one | CAS Registry Number: 62780-89-6
Synonyms: ChemDiv2_000053, EINECS 263-731-6, SBB003442, ZINC02168830, CID1810419, EU-0066726, 1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

Molecular Formula: C10H11ClN2OMolecular Weight: 210.660140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GUMPYDGUYXOYML-UHFFFAOYSA-N

• 2-Amino-3-Picoline
IUPAC Name: 3-methylpyridin-2-amine | CAS Registry Number: 1603-40-3
Synonyms: 2-Amino-3-picoline, 2-Amino-3-methylpyridine, 2-Pyridinamine, 3-methyl-, 3-Methyl-2-pyridinamine, 3-Picoline, 2-amino-, 2-Amino-beta-picoline, 3-Methyl-2-aminopyridine, 3-Methyl-2-pyridylamine, 3-methylpyridin-2-amine, 2-Amino-.beta.-picoline, WLN: T6NJ BZ C1, A75633_ALDRICH, NSC 450, NSC450, PYRIDINE, 2-AMINO-3-METHYL-, EINECS 216-501-4, 3-Picoline, 2-amino- (8CI), AIDS020432, 2-AMINO-3-METHYL-PYRIDINE, AIDS-020432

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RGDQRXPEZUNWHX-UHFFFAOYSA-N

• 3-Carbamyl-1-methylpyridinium chloride
IUPAC Name: 1-methylpyridin-1-ium-3-carboxamide chloride | CAS Registry Number: 1005-24-9
Synonyms: Trigonellamide chloride, Nicotinamide methochloride, Nipecotamide methochloride, Nicotinamide methyl chloride, N-Methylnicotinamide chloride, 1-Methylnicotinamide chloride, AIDS020519, AIDS-020519, 3-Carbamoyl-1-methylpyridinium chloride, EINECS 213-901-0, Pyridinium, 3-carbamoyl-1-methyl-, chloride, LS-132155, 1-Methylpyridine-3-carboxylic acid amide chloride, Pyridinium, 3-(aminocarbonyl)-1-methyl-, chloride, 1-Methyl-2-(3-(1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl)naphtho(1,2-d)thiazolium chloride, 1063-92-9, 3106-60-3, Naphtho(1,2-d)thiazolium, 1-methyl-2-(3-(1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl)-, chloride

Molecular Formula: C7H9ClN2OMolecular Weight: 172.612160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BWVDQVQUNNBTLK-UHFFFAOYSA-N

• 2,6-Dichloroquinone chloroimide
IUPAC Name: 2,6-dichloro-4-chloroiminocyclohexa-2,5-dien-1-one | CAS Registry Number: 101-38-2
Synonyms: Gibbs reagent, Gibb's reagent, 2,6-Dichloroquinonechloroimine, 2,6-Dichloroquinone-4-chloroimide, 2,6-Dichloroquinone-4-chloroimine, N,2,6-Trichlorobenzoquinone imine, p-Benzoquinone imine, N,2,6-trichloro-, D6511_SIGMA, N,2,6-Trichloro-p-benzoquinonimine, 2,6-Dichloro-4-N-chloroquinonimine, 2,6-Dichlorobenzoquinone chloroimide, NSC 6293, 35620_FLUKA, EINECS 202-937-2, CID7556, NSC6293, WLN: L6V DYJ BG DUNG FG, N,2,6-Trichloro-4-benzoquinone imine, N,2,6-Trichloro-p-benzoquinone imine, BRN 2364249

Molecular Formula: C6H2Cl3NOMolecular Weight: 210.445180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YHUMTHWQGWPJOQ-UHFFFAOYSA-N

• (1R)-(-)-Camphorquinone
IUPAC Name: (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione | CAS Registry Number: 10334-26-6
Synonyms: Camphorquinone, ()-Camphorquinone, 2,3-Bornanedione, Ambap5942, DL-CAMPHORQUINONE, (1R)-bornane-2,3-dione, 124893_ALDRICH, CHEBI:36778, CID641916, ZINC01555410, 1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione, Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione, (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione, 10373-78-1, InChI=1/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H, 465-29-2

Molecular Formula: C10H14O2Molecular Weight: 166.216960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VNQXSTWCDUXYEZ-LDWIPMOCSA-N

• 1-(5-Chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride
IUPAC Name: 1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane hydrochloride | CAS Registry Number: 105637-50-1
Synonyms: ML-9, Hydrochloride, ML-9, ML 9, C15H17ClN2O2S.HCl, C1172_SIGMA, IN1221, NSC734549, NCGC00093681-01, LS-171976, EU-0100209, K00008, 1-(5-Chloronaphthalene-1-sulfonyl)homopiperazine, HCl, 1-(5-Chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine HCl, 1-(5-Chloronaphthalenesulfonyl)homopiperazine hydrochloride, 1-(5-chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine, ML-9; 1-(5-Chloronaphthalene-1-sulfonyl)homopiperazine, HCl, 1H-1,4-Diazepine, 1-((5-chloro-1-naphthalenyl)sulfonyl)hexahydro-, monohydrochloride

Molecular Formula: C15H18Cl2N2O2SMolecular Weight: 361.286620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZNRYCIVTNLZOGI-UHFFFAOYSA-N

• 2-Acetylbenzoic acid
IUPAC Name: 2-acetylbenzoic acid | CAS Registry Number: 577-56-0
Synonyms: o-Acetylbenzoic acid, Benzoic acid, 2-acetyl-, Acetophenone-2-carboxylic acid, AIDS018101, AIDS-018101, EINECS 209-413-2, NSC407680, AI3-22133, ST5211366, TL8003713

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QDAWXRKTSATEOP-UHFFFAOYSA-N

• 1-Butylboronic Acid
IUPAC Name: butylboronic acid | CAS Registry Number: 4426-47-5
Synonyms: 1-Butaneboronic acid, Propylboronic acid, BUTYLBORONIC ACID, n-Butylboronic acid, 1-Butyldihydroxyborane, 1-BUTANE BORONIC ACID, 163244_ALDRICH, 19667_FLUKA, EINECS 224-607-7, DB02664, TL8003084, InChI=1/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H

Molecular Formula: C4H11BO2Molecular Weight: 101.939940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QPKFVRWIISEVCW-UHFFFAOYSA-N

• 2,4-Dichloro-5-methylpyrimidine
IUPAC Name: 2,4-dichloro-5-methylpyrimidine | CAS Registry Number: 1780-31-0
Synonyms: D66182_ALDRICH, 5-Methyl-2,4-dichloropyrimidine, NSC37532, Pyrimidine, 2,4-dichloro-5-methyl-, CID74508, EINECS 217-227-8, NSC 37532, InChI=1/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H

Molecular Formula: C5H4Cl2N2Molecular Weight: 163.004660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DQXNTSXKIUZJJS-UHFFFAOYSA-N

• 2,4-Dichloro-6-methylpyrimidine
IUPAC Name: 2,4-dichloro-6-methylpyrimidine | CAS Registry Number: 5424-21-5
Synonyms: Ambap1600, 2,6-Dichloro-4-methylpyrimidine, 144185_ALDRICH, Pyrimidine, 2,4-dichloro-6-methyl-, NSC13199, CID79471, EINECS 226-563-4, NSC 13199, ZINC01683310, AI3-26572

Molecular Formula: C5H4Cl2N2Molecular Weight: 163.004660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BTLKROSJMNFSQZ-UHFFFAOYSA-N

• 2-Amino-4-hydroxypyrimidine
IUPAC Name: 2-amino-1H-pyrimidin-6-one | CAS Registry Number: 108-53-2
Synonyms: Isocytosine, 2-Aminouracil, Isocytosine (VAN), 2-Amino-4-pyrimdinol, 2-Amino-4-pyrimidone, 2-Amino-4-oxypyrimidine, 2-Amino-4-pyrimidol, 4-Pyrimidinol, 2-amino-, 4(3H)-Pyrimidinone, 2-amino-, 2-aminopyrimidin-4(1H)-one, 2-aminopyrimidin-4(3H)-one, 4(1H)-Pyrimidinone, 2-amino-, I2127_SIGMA, 2-Amino-3H-pyrimidin-4-one, AIDS020793, AIDS045569, AIDS081807, AIDS-020793, AIDS-045569, AIDS-081807

Molecular Formula: C4H5N3OMolecular Weight: 111.102000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XQCZBXHVTFVIFE-UHFFFAOYSA-N

• 2'-Deoxycytidine hydrochloride
IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one hydrochloride | CAS Registry Number: 3992-42-5
Synonyms: MLS001306453, MLS001332443, MLS001332444, D0776_SIGMA, D8006_SIGMA, 31010_FLUKA, Cytosine deoxyriboside hydrochloride, EINECS 223-639-9, EINECS 246-732-6, Cytidine, 2'-deoxy-, monohydrochloride, SMR000718803, 1-(2-Deoxy-beta-D-ribofuranosyl)cytosine hydrochloride, 25203-63-8

Molecular Formula: C9H14ClN3O4Molecular Weight: 263.678160 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: LTKCXZGFJFAPLY-OERIEOFYSA-N

• 5-Nitro-6-methyluracil
IUPAC Name: 6-methyl-5-nitro-1H-pyrimidine-2,4-dione | CAS Registry Number: 16632-21-6
Synonyms: 6-Methyl-5-nitrouracil, 4-Methyl-5-nitrouracil, Maybridge1_006298, Uracil, 6-methyl-5-nitro-, D8378_SIGMA, AIDS046395, AIDS-046395, NSC40201, EINECS 240-688-1, STK294123, ZINC03898526, 2,4-Dihydroxy-6-methyl-5-nitropyrimidine, 5-nitro-6-methyl-2,4-pyrimidinediol, ST5409433, EU-0000846, 2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-, AC-907/30003030

Molecular Formula: C5H5N3O4Molecular Weight: 171.110900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LIVYMRJSNFHYEN-UHFFFAOYSA-N

• 2,4-Dibromo thiophene
IUPAC Name: 2,4-dibromothiophene | CAS Registry Number: 3140-92-9
Synonyms: 2,4-Dibromothiophene, Thiophene, 2,4-dibromo-, ZINC02168779, CID2724560, ST5405449, TL8002398, InChI=1/C4H2Br2S/c5-3-1-4(6)7-2-3/h1-2

Molecular Formula: C4H2Br2SMolecular Weight: 241.931680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WAQFYSJKIRRXLP-UHFFFAOYSA-N

• 1-Acetylimidazole
IUPAC Name: 1-imidazol-1-ylethanone | CAS Registry Number: 2466-76-4
Synonyms: N-Acetylimidazole, Acetylimidazole, 1H-Imidazole, 1-acetyl-, IMIDAZOLE, 1-ACETYL-, 1-Acetyl-1H-imidazole, Imidazole N-1 deriv. 5, CCRIS 6534, MLS001074864, 157864_ALDRICH, CHEBI:16984, EINECS 219-577-7, CPD-434, CID17174, BRN 0108425, SBB008874, ZINC00388370, LS-78023, SMR000568396, C02560, 5-23-04-00218 (Beilstein Handbook Reference)

Molecular Formula: C5H6N2OMolecular Weight: 110.113940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VIHYIVKEECZGOU-UHFFFAOYSA-N

• 1-Benzylimidazole
IUPAC Name: 1-(phenylmethyl)imidazole | CAS Registry Number: 4238-71-5
Synonyms: 1-Benzyl-1H-imidazole, N-Benzylimidazole, Imidazole, 1-benzyl-, 2afx, 1H-Imidazole, 1-(phenylmethyl)-, Maybridge3_003880, 1-(phenylmethyl)imidazole, 1-BENZYL IMIDAZOLE, CCRIS 5821, MLS000069473, 116416_ALDRICH, Imidazole, 1-benzyl- (8CI), 13479_FLUKA, EINECS 224-200-4, NSC 126828, NSC 217337, NSC126828, NSC217337, SBB003990, ZINC00169811

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KKKDZZRICRFGSD-UHFFFAOYSA-N

• 1,1,4,4-Tetraphenyl-2,3-Oisopropylidene-L-threitol
IUPAC Name: [(4R,5R)-5-[hydroxy-di(phenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-di(phenyl)methanol | CAS Registry Number: 93379-48-7
Synonyms: TADDOL, D1431_SIGMA, 265004_ALDRICH, 59532_FLUKA, ZINC02539295, ST5306945, 1,1,4,4-Tetraphenyl-2,3-O-isopropylidene-L-threitol, (4R,5R)-4,5-Bis(diphenylhydroxymethyl)-2,2-dimethyldioxolane, (−)-2,3-O-Isopropylidene-1,1,4,4-tetraphenyl-L-threitol, (−)-trans-alpha,alpha'-(2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol), (4R,5R)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetraphenyldioxolane-4,5-dimethanol

Molecular Formula: C31H30O4Molecular Weight: 466.567500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: OWVIRVJQDVCGQX-VSGBNLITSA-N

• (R,R)-N,N'-bis(3,5-di-tbutylsalicylidene)-1,2-cyclohexanediaminoManganese (III) chloride
IUPAC Name: 2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;manganese(3+);chloride | CAS Registry Number: 138124-32-0
Synonyms: UNII-WPP775Y8PO, WPP775Y8PO, Jacobsen's catalyst, Jacobsen's catalyst [MI], (R,R)-Jacobsen's catalyst, GEO-03071, CB-1743, Jacobsen's catalyst (R,R)-form [MI], UNII-45S483EOVD component LJVAWOSDJSQANR-OHRASPNLSA-K, (-)-Chloro((1R,2R)-4,4',6,6'-tetra-tert-butyl-2,2'-(cyclohexane-1,2-diylbis(nitrilomethylidyne))diphenolato(manganese(III), (N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine)manganese(III) chloride, (R,R)-, (N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine)manganese(III) chloride, (R,R)-rel-, (N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine)manganese(III) chloride, (RS,RS)-, (R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) chloride, (R,R)-(-)-N,N?-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) chloride, (R,R)-(N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine)manganese(III) chloride, 149656-63-3, Manganese, chloro((2,2'-((1R,2R)-1,2-cyclohexanediylbis((nitrilo-kappaN)methylidyne))bis(4,6-bis(1,1-dimethylethyl)phenolato-kappaO))(2-))-, (sp-5-13)-, Manganese, chloro((2,2'-(1,2-cyclohexanediylbis(nitrilomethylidyne))bis(4,6-bis(1,1-dimethylethyl)phenolato))(2-)-N,N',O,O')-, (sp-5-13-(trans))-, Manganese, chloro((rel-2,2'-((1R,2R)-1,2-cyclohexanediylbis((nitrilo-kappaN)methylidyne))bis(4,6-bis(1,1-dimethylethyl)phenolato-kappaO))(2-))-, (sp-5-13)-

Molecular Formula: C36H52ClMnN2O2Molecular Weight: 635.201325 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LJVAWOSDJSQANR-SEILFYAJSA-K

• (R)-(-)-1,1'-Bi(2-naphthyl) -2,2-diyl hydrogen phosphate [(R)-BNP Acid]
Synonyms: ZINC01765619, CID6995688

Molecular Formula: C20H12O4P-Molecular Weight: 347.280641 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JEHUZVBIUCAMRZ-UHFFFAOYSA-M

• 2,4-Dinitrophenol
IUPAC Name: 2,4-dinitrophenol | CAS Registry Number: 51-28-5
Synonyms: 2,4-dinitrophenol, Nitrophen, Nitrophene, Aldifen, Nitro kleenup, alpha-Dinitrophenol, Dinofan, Fenoxyl carbon N, Chemox PE, Solfo Black B, Solfo Black G, Osmoplastic-R, Solfo Black BB, Solfo Black SB, Tertrosulphur PBR, Phenol, 2,4-dinitro-, Osmotox-Plus, Dinitrofenolo, Fenoxyl, Tertrosulfur pbr

Molecular Formula: C6H4N2O5Molecular Weight: 184.106360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UFBJCMHMOXMLKC-UHFFFAOYSA-N

• 1,4-Dioxa-8-Azaspiro[4.5]decane
IUPAC Name: 1,4-dioxa-8-azaspiro[4.5]decane | CAS Registry Number: 177-11-7
Synonyms: Piperidone-4-ethyleneketal, 4-Piperidinone ethyl ketal, 4-Piperidone ethylene acetal, 178365_ALDRICH, EINECS 205-868-6, 1,4-Dioxa-8-azaspiro(4.5)decane, 1,4-Dioxa-8-azaspiro[4.5]decane, ST5213773

Molecular Formula: C7H13NO2Molecular Weight: 143.183620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KPKNTUUIEVXMOH-UHFFFAOYSA-N

• 1,5-Diphenylcarbohydrazide
IUPAC Name: 1,3-bis(anilino)urea | CAS Registry Number: 140-22-7
Synonyms: Diphenylcarbazide, 1,5-Diphenylcarbazide, Diphenyl carbazide, 2,5-Diphenylcarbazide, N,N'-Diphenylcarbazide, 1,5-Diphenylcabohydrazide, 2,2'-Diphenylcarbazide, Carbohydrazide, 1,5-diphenyl-, sym.-Diphenylcarbazide, SYM-DIPHENYLCARBAZIDE, DPC (VAN), 1,5-Diphenylcarbonohydrazide, 1,5-Diphenylcarbohydrazine, Carbonic dihydrazide, 2,2'-diphenyl-, 2,2'-Diphenylcarbonic dihydrazide, CBDivE_014231, D7766_SIGMA, 33152_RIEDEL, NSC 5058, 42860_FLUKA

Molecular Formula: C13H14N4OMolecular Weight: 242.276460 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: KSPIHGBHKVISFI-UHFFFAOYSA-N

• 1,1-Diphenylethylene
IUPAC Name: 1-phenylethenylbenzene | CAS Registry Number: 530-48-3
Synonyms: Diphenylethylene, 1,1-Diphenylethene, alpha-Phenylstyrene, as-Diphenylethylene, DDNU, .alpha.-Phenylstyrene, Ethylene, 1,1-diphenyl-, 1-phenyl-vinyl-benzene, 1,1-DIPHENYLETHYLENE, Benzene, 1,1'-ethenylidenebis-, alpha,alpha-Diphenylethylene, D206806_ALDRICH, alpha-Methylene-diphenylmethane, .alpha.,.alpha.-Diphenylethylene, .alpha.-Methylene-diphenylmethane, Ethylene, 1,1-diphenyl- (8CI), NSC57645, EINECS 208-482-6, NSC 57645, AI3-06164

Molecular Formula: C14H12Molecular Weight: 180.245080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZMYIIHDQURVDRB-UHFFFAOYSA-N

• 1,2-Ethanedithiol
IUPAC Name: ethane-1,2-dithiol | CAS Registry Number: 540-63-6
Synonyms: Dithioglycol, Ethylenedithiol, 1,2-ETHANEDITHIOL, Ethylene mercaptan, Ethylenedimercaptan, S-Ethylene dimercaptan, 1,2-Ethanethiol, Dithioethyleneglycol, 1,2-Dimercaptoethane, Ethylene dithioglycol, Dithiol deriv., Ethylene dimercaptan, Ethyl hydropersulfide, 1,2-Dithiol ethane, Ethane-1,2-dithiol, Ethylene glycol, dithio-, a-Ethylene dimercaptan, WLN: SH2SH, FEMA No. 3484, nchembio.2007.48-comp3

Molecular Formula: C2H6S2Molecular Weight: 94.199040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VYMPLPIFKRHAAC-UHFFFAOYSA-N

• 4-Ethylguaiacol
IUPAC Name: 4-ethyl-2-methoxyphenol | CAS Registry Number: 2785-89-9
Synonyms: p-Ethylguaiacol, Homocresol, Guaiacyl ethane, 4-Ethyl-2-methoxyphenol, Guaiacol, 4-ethyl-, 2-Methoxy-4-ethylphenol, PHENOL, 4-ETHYL-2-METHOXY-, W243604_ALDRICH, 4-Hydroxy-3-methoxy ethylbenzene, FEMA No. 2436, 4-Hydroxy-3-methoxyethylbenzene, 4-Hydroxy-3-methoxyphenylethane, CID62465, NSC82313, 1-Hydroxy-2-methoxy-4-ethylbenzene, EINECS 220-500-4, CPD-10601, NSC 82313, SBB008068, ZINC01631205

Molecular Formula: C9H12O2Molecular Weight: 152.190380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CHWNEIVBYREQRF-UHFFFAOYSA-N

• 1-Ethylpiperidine
IUPAC Name: 1-ethylpiperidine | CAS Registry Number: 766-09-6
Synonyms: Piperidine, 1-ethyl-, N-ETHYLPIPERIDINE, N-Aethylpiperidin, N-Aethylpiperidin [German], WLN: T6NTJ A2, E45708_ALDRICH, NSC 2090, 04740_FLUKA, CHEBI:39017, EINECS 212-161-6, NSC2090, UN2386, AI3-22780, LS-115515, TL8005245, 1-Ethylpiperidine [UN2386] [Flammable liquid], 1-Ethylpiperidine [UN2386] [Flammable liquid], InChI=1/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H, 138222-44-3

Molecular Formula: C7H15NMolecular Weight: 113.200700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HTLZVHNRZJPSMI-UHFFFAOYSA-N

• 1-Formylpiperazine
IUPAC Name: piperazine-1-carbaldehyde | CAS Registry Number: 7755-92-2
Synonyms: Formylpiperazine, N-Formylpiperazine, 1-Piperazinecarboxaldehyde, Piperazine-1-carbaldehyde, Piperazine-1-carboxaldehyde, 392243_ALDRICH, 47727_FLUKA, BB_SC-4847, EINECS 231-813-0, NSC511082, NSC 511082

Molecular Formula: C5H10N2OMolecular Weight: 114.145700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MSSDTZLYNMFTKN-UHFFFAOYSA-N

• 1,2,6-Hexanetriol
IUPAC Name: hexane-1,2,6-triol | CAS Registry Number: 106-69-4
Synonyms: Hexanetriol-1,2,6, 1,2,6-Trihydroxyhexane, 1,2,6-HEXANETRIOL, Hexane-1,2,6-triol, T66206_ALDRICH, W502405_ALDRICH, WLN: Q4YQ & 1Q, 52900_FLUKA, EINECS 203-424-6, CID7823, NSC404957, NSC 404957, BRN 1304479, AI3-14311, LS-75174, 4-01-00-02784 (Beilstein Handbook Reference), 112254-74-7

Molecular Formula: C6H14O3Molecular Weight: 134.173560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: ZWVMLYRJXORSEP-UHFFFAOYSA-N

• 1'-Hydroxy-2'-Acetonaphthone
IUPAC Name: 1-(1-hydroxynaphthalen-2-yl)ethanone | CAS Registry Number: 711-79-5
Synonyms: 2-Acetyl-1-naphthol, 2-Aceto-1-naphthol, 1-Hydroxy-2-acetonaphthone, 1'-Hydroxy-2'-acetonaphthone, 1-Hydroxy-2-acetylnaphthalene, 2-Acetyl-1-hydroxynaphthalene, 2'-Acetonaphthone, 1'-hydroxy-, NSC4973, Ethanone, 1-(1-hydroxy-2-naphthalenyl)-, 205664_ALDRICH, 1-Hydroxy-2-naphthyl methyl ketone, 3',4'-Benzo-2'-hydroxyacetophenone, 1-(1-Hydroxy-2-naphthyl)ethanone, CID69733, NSC 4973, EINECS 211-918-8, SBB010063, ZINC00154709, 2'-Acetonaphthone, 1'-hydroxy- (8CI), AI3-00856

Molecular Formula: C12H10O2Molecular Weight: 186.206600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JBGJVMVWYWUVOW-UHFFFAOYSA-N

• 2-(2-Hydroxyethyl)pyridine
IUPAC Name: 2-pyridin-2-ylethanol | CAS Registry Number: 103-74-2
Synonyms: Pyridine-2-ethanol, 2-PYRIDINEETHANOL, 2-Pyridylethanol, 2-(2-Pyridyl)ethanol, 2-pyridin-2-ylethanol, Ambap4520, 2-ETHANOLPYRIDINE, 2-(beta-Hydroxyethyl)pyridine, NCIOpen2_000827, HSDB 5357, 2-(2-Hydroxyethyl)-pyridine, Pyridine, 2-(2-hydroxyethyl)-, 128643_ALDRICH, NSC 2144, EINECS 203-140-2, NSC2144, AIDS020381, AIDS-020381, NSC77979, BRN 0111205

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BXGYBSJAZFGIPX-UHFFFAOYSA-N

• 1-Naphthalenesulfonic Acid, Sodium Salt
IUPAC Name: naphthalene-1-sulfonic acid; sodium | CAS Registry Number: 130-14-3
Synonyms: alpha salt, Sodium 1-naphthalenesulfonate, Sodium .alpha.-naphthylsulfonate, Sodium .alpha.-naphthalenesulfonate, NSC37036, Sodium .alpha.-naphthalenesulfonic acid, 1-Naphthalenesulfonic acid, sodium salt, .alpha.-Naphthalenesulfonic acid sodium salt

Molecular Formula: C10H8NaO3SMolecular Weight: 231.223490 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CRVVHBFLWWQMPT-UHFFFAOYSA-N

• 2-Naphthoxy Acetic Acid
IUPAC Name: 2-naphthalen-2-yloxyacetic acid | CAS Registry Number: 120-23-0
Synonyms: Bnoa, Betoxon, Betapal, 2-Naphthoxyacetic acid, 2-Noxa, NOXA, Phyomone, (2-Naphthyloxy)acetic acid, Gerlach 1396, 2-Naphthyloxyacetic acid, Naphthoxyacetic acid, beta-Naphthyloxyacetic acid, (2-Naphthloxy)acetic acid, O-(2-Naphthyl)glycolic acid, Acetic acid, (2-naphthyloxy)-, 2-Naphthalenoxyacetic acid, Acetic acid, (2-naphthalenyloxy)-, (2-Naphthalenyloxy)acetic acid, NAPHTHYLOXYACETIC ACID, (2-Naphthoxy)acetic acid

Molecular Formula: C12H10O3Molecular Weight: 202.206000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RZCJYMOBWVJQGV-UHFFFAOYSA-N

• 1,16-Hexadecalactone
IUPAC Name: 17-oxacycloheptadecan-1-one | CAS Registry Number: 109-29-5
Synonyms: Hexadecanolide, Cyclohexadecanolide, Dihydroambrettolide, 16-Hexadecanolactone, Juniperic acid lactone, 1,16-Hexadecanolide, 16-Hexadecanolide, 1,16-Hexadecanolactone, OXACYCLOHEPTADECAN-2-ONE, Ambap7738, H0893_SIGMA, JUNIPERIC ACID, LACTONE, 540757_ALDRICH, 16-Hydroxyhexadecanoic acid lactone, NSC33546, EINECS 203-662-0, NSC 33546, BRN 0148631, AI3-37208, LS-98807

Molecular Formula: C16H30O2Molecular Weight: 254.408200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LOKPJYNMYCVCRM-UHFFFAOYSA-N

• 2,3,5,6 Tetramethyl Pyrazine
IUPAC Name: 2,3,5,6-tetramethylpyrazine | CAS Registry Number: 1124-11-4
Synonyms: Bs factor, Ligustrazine, Chuanxiongzine, Tetrapyrazine, Tetramethylpyrazin, Ligustizine, Liqustrazine, Pyrazine, tetramethyl-, TETRAMETHYLPYRAZINE, 2,3,5,6-Tetramethylpyrazine, TMPZ, tetramethyl pyrazine, 2,3,5,6-Tetramethyl pyrazine, FEMA No. 3237, MLS000069594, W323705_ALDRICH, W323713_ALDRICH, 183938_ALDRICH, tetramethylpyrazine hydrochloride, EINECS 214-391-2

Molecular Formula: C8H12N2Molecular Weight: 136.194280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FINHMKGKINIASC-UHFFFAOYSA-N

• 2,4,5-Trimethylthiazole
IUPAC Name: 2,4,5-trimethyl-1,3-thiazole | CAS Registry Number: 13623-11-5
Synonyms: Trimethylthiazole, Thiazole, trimethyl-, Thiazole, 2,4,5-trimethyl-, W332518_ALDRICH, FEMA No. 3325, 219185_ALDRICH, EINECS 237-107-9, NSC170614, ZINC00407028, NSC 170614, Thiazole, 2,4,5-trimethyl- (8CI)(9CI), InChI=1/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H

Molecular Formula: C6H9NSMolecular Weight: 127.207360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BAMPVSWRQZNDQC-UHFFFAOYSA-N

• 1,8-Diamino Naphthalene
IUPAC Name: naphthalene-1,8-diamine | CAS Registry Number: 479-27-6
Synonyms: 1,8-Naphthalenediamine, Naphthalene-1,8-diamine, 1,8-Diaminonaphthalene, 1,8-Naphthylenediamine, D21405_ALDRICH, NSC 6081, 33170_FLUKA, 33180_FLUKA, EINECS 207-529-8, NSC6081, ZINC00388487, 1,8-NAPHTHYLENEDIAMINE, TECH, AI3-03804, LS-167531, InChI=1/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YFOOEYJGMMJJLS-UHFFFAOYSA-N

• 1-Hydroxyadamantane
IUPAC Name: adamantan-1-ol | CAS Registry Number: 768-95-6
Synonyms: 1-Adamantanol, 1-Adamantol, Adamantan-1-ol, Ambap2129, 130346_ALDRICH, 54191_FLUKA, EINECS 212-202-8, NSC 91633, NSC 108837, Tricyclo(3.3.1.13,7)decan-1-ol, NSC91633, NSC108837, ZINC01297856, Tricyclo[3.3.1.1(3,7)]decan-1-ol, AI3-61285, SDCCGMLS-0066229.P001, Tricyclo[3.3.1.13,7]decan-1-ol, LS-15042, tricyclo[3.3.1.1~3,7~]decan-1-ol, ST5182315

Molecular Formula: C10H16OMolecular Weight: 152.233440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VLLNJDMHDJRNFK-UHFFFAOYSA-N

• 1,2-Naphthoquinone-4-Sulfonic Acid, Sodium Salt
IUPAC Name: sodium 3,4-dioxonaphthalene-1-sulfonate | CAS Registry Number: 521-24-4
Synonyms: Folin's reagent, N1766_SIGMA, 226017_ALDRICH, Sodium 1,2-naphthoquinone-4-sulfonate, EINECS 208-308-9, Sodium beta-naphthoquinone-4-sulfonate, Sodium 3,4-dioxonaphthalene-1-sulphonate, AI3-50008, beta-Naphthoquinone-4-sulfonate sodium salt, LS-94917, ST5411433, 1,2-Naphthoquinone-4-sulfonic acid sodium salt, 1,2-Naphthoquinone-4-sulfonic acid, sodium salt, Sodium 3,4-dihydro-3,4-dioxo-1-naphthalenesulfonate, 1-NAPHTHALENESULFONIC ACID, 3,4-DIHYDRO-3,4-DIOXO-, SODIUM SALT, 3,4-Dihydro-3,4-dioxo-1-naphthalenesulfonic acid sodium salt, 2066-93-5

Molecular Formula: C10H5NaO5SMolecular Weight: 260.198470 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: UBLXEEBHYISRFM-UHFFFAOYSA-M


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